Clofoctol
Also known as Octofene, 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol, Clofoctolum
Key facts
What buyers check first
- CAS number
- 37693-01-9
- Formula
- C21H26Cl2O
- Molar mass
- 365.34 g/mol
- EC number
- 253-632-6
- HS code
- 290819
- Category
- Screening compounds
What is Clofoctol?
Plain description, key identifiers and synonyms
2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is a diarylmethane.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
- CAS number
- 37693-01-9 CAS number cross-checked
- EC number
- 253-632-6
- Molecular formula
- C21H26Cl2O
- UNII
- 704083NI0R
- MDL number
- MFCD00079014
- InChIKey
- HQVZOORKDNCGCK-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H26Cl2O/c1-20(2,3)13-21(4,5)16-7-9-19(24)15(11-16)10-14-6-8-17(22)12-18(14)23/h6-9,11-12,24H,10,13H2,1-5H3
- SMILES (canonical and isomeric)
- CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)CC2=C(C=C(C=C2)Cl)Cl
Synonyms
- Octofene
- 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
- Clofoctolum
- alpha-(2,4-Dichlorophenyl)-4-(1,1,3,3-tetramethylbutyl)-o-cresol
- Phenol, 2-((2,4-dichlorophenyl)methyl)-4-(1,1,3,3-tetramethylbutyl)-
- Clofoctolo
- 2-((2,4-dichlorophenyl)methyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
- Phenol, 2-[(2,4-dichlorophenyl)methyl]-4-(1,1,3,3-tetramethylbutyl)-
- 2-(2,4-dichlorobenzyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
- 2-((2,4-Dichlorophenyl)methyl)-4-(1,1,3,3-tetramethylbutyl)phenol
- 2-[(2,4-dichlorophenyl)methyl]-4-(1,1,3,3-tetramethylbutyl)phenol
- Clofoctol (INN)
- C21H26Cl2O
- Gramplus
- Clofoctol?
- Octofene (TN)
- Clofoctol (Standard)
- 2-(2,4-Dichlorobenzyl)-4-(1,1,3,3-tetramethylbutyl)phenol
- Clofoctol, analytical standard
- DivK1c_000426
- 2-((2,4-Dichlorophenyl)methyl)-4-(1,1,3,3-tetrameth
- 2-(2,4-Dichlorobenzyl)-4-(1,1,3,3-tetramethylbutyl)phenol #
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 365.34 g/molcalc.Computed value |
|---|---|
| Exact mass | 364.1361 Dacalc.Computed value |
| LogP (octanol/water) | 7calc.Computed value |
| Topological polar surface area | 20.23 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 1calc.Computed value |
| Rotatable bonds | 4calc.Computed value |
| Heavy atoms | 24calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.43calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (1 violation)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
c1ccc(Cc2ccccc2)cc1
2 rings, 13 atoms, the Diphenylmethane ring system.
8,982 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H413May cause long lasting harmful effects to aquatic life.
Precautionary statements (2)
- P273Avoid release to the environment.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidClofoctol suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, ShanghaiUnclaimed profileClofoctolGrade, purity and minimum order on requestPrice on request
- United States, HopkintonUnclaimed profileClofoctolGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
2 suppliers in 2 countries
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Clofoctol price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- antibacterial agent
- antimicrobial agent
Pharmacology
Clofoctol is a bacteriostatic antibiotic with activity against Gram-positive bacteria. Clofoctol is used in the treatment of upper and lower respiratory tract infections.
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Clofoctol is traded under.
Derivatives containing only halogen substituents and their salts, other
- China58.6%
- South Korea10.3%
- United States5.5%
* Partner reported figures, a lower bound.
The HS code shown for Clofoctol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![2,2'-Methylenebis[4-(1,1,3,3-tetramethylbutyl)phenol] chemical structure, C29H44O2, CAS 27725-17-3](/s/NHKWEDRAPLIPAU-UHFFFAOYSA-N.svg)
![2-[(5-tert-Butyl-2-hydroxyphenyl)methyl]-4-chlorophenol chemical structure, C17H19ClO2, CAS 62384-33-2](/s/LCMMTIKNODHBKH-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about Clofoctol, based on the data on this page
What is Clofoctol?
What is the CAS number of Clofoctol?
What is the molecular formula and weight of Clofoctol?
What is Clofoctol used for?
Is Clofoctol hazardous?
What is the HS code of Clofoctol?
Where can I buy Clofoctol?
What is the price of Clofoctol?
Guides for buyers
Practical guides that help when you source, ship or handle Clofoctol
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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